SCHEMBL11239714

SCHEMBL11239714

CCCOC(=O)C=C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.46
ESR2 Q92731 1/20 0.44
ATM Q13315 1/20 0.39
PRKCA P17252 2/20 0.37
APP P05067 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL905258 0.84 ESR2 (0.54) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL6093145 0.82 ESR2 (0.53) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL3812522 0.82 ESR2 (0.53) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL25311256 0.82 ESR2 (0.53) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL4687838 0.82 ESR2 (0.53) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL25313837 0.82 ESR2 (0.53) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL1668850 0.80 ESR2 (0.54) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL2502784 0.75
SCHEMBL15866732 0.74 ESR2 (0.37) ESR2
SCHEMBL5154874 0.73 ESR2 (0.55) HCAR2ESR2HPGDSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338458-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1982-07-06 US disclosed
US-4280934-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1981-07-28 US disclosed